6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole

C9H10Br2N2S — CID 115335272

IUPAC6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10Br2N2S/c10-4-7(5-11)3-8-6-13-1-2-14-9(13)12-8/h1-2,6-7H,3-5H2
InChIKeyLWFDTARRPQNKNG-UHFFFAOYSA-N
MW338.07 g/mol
LogP3.34
Rot. Bonds4

About 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole

6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335272) has the molecular formula C9H10Br2N2S and a molecular weight of 338.07 g/mol. Its IUPAC name is 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335272
Molecular FormulaC9H10Br2N2S
Molecular Weight338.07 g/mol
Exact Mass335.89
IUPAC Name6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C9H10Br2N2S/c10-4-7(5-11)3-8-6-13-1-2-14-9(13)12-8/h1-2,6-7H,3-5H2
InChIKeyLWFDTARRPQNKNG-UHFFFAOYSA-N
XLogP3.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425

Frequently Asked Questions

What is the IUPAC name of 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 115335272) is 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole is BrCC(CBr)Cc1cn2ccsc2n1.
What is the InChIKey of 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is LWFDTARRPQNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2S/c10-4-7(5-11)3-8-6-13-1-2-14-9(13)12-8/h1-2,6-7H,3-5H2.
What are the key properties of 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 338.07 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).